Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21457582 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAMAPK1XBP1 | |
| SCHEMBL291408 | 0.78 | CYP2C19 (0.43) | ALDH1A1MAPTLMNAMAPK1XBP1 | |
| SCHEMBL434262 | 0.78 | CYP2C19 (0.43) | ALDH1A1MAPTLMNAMAPK1XBP1 | |
| SCHEMBL183462 | 0.75 | CES1 (0.58) | ALDH1A1MAPTLMNAMAPK1CES1 | |
| SCHEMBL523842 | 0.75 | CES1 (0.58) | ALDH1A1MAPTLMNAMAPK1CES1 | |
| SCHEMBL114583 | 0.75 | CES1 (0.58) | ALDH1A1MAPTLMNAMAPK1CES1 | |
| SCHEMBL11230433 | 0.72 | CYP2C19 (0.42) | ALDH1A1MAPTLMNAMAPK1XBP1 | |
| SCHEMBL11230446 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNAMAPK1XBP1 | |
| SCHEMBL18641149 | 0.72 | CES1 (0.44) | ALDH1A1MAPTLMNAMAPK1XBP1 | |
| SCHEMBL28249705 | 0.72 | CES1 (0.44) | ALDH1A1MAPTLMNAMAPK1XBP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4359454-A | IN SITU POLYMERIZATION OF METHYL CYANOACRYLATE AND DEGRADATION | WORLD HEALTH ORGANIZATION (CH) | 1982-11-16 | — | — | US | disclosed |